2-(二甲基氨基)-2-(羟基甲基)-1,3-丙烷二醇 | 1112-24-9
2-(二甲基氨基)-2-(羟基甲基)-1,3-丙烷二醇
1,3-Propanediol,2-(dimethylamino)-2-(hydroxymethyl)-
1112-24-9
C6H15NO3
149.1882
名称和标识符
InChIKey |
FGLZHYIVVZTBQJ-UHFFFAOYSA-N |
Inchi |
InChI=1S/C6H15NO3/c1-7(2)6(3-8,4-9)5-10/h8-10H,3-5H2,1-2H3 |
SMILES |
OCC(N(C)C)(CO)CO |
别名信息
- 中文别名 -
- 2-(二甲基氨基)-2-(羟基甲基)-1,3-丙烷二醇
- 英文别名 -
- 1,3-Propanediol,2-(dimethylamino)-2-(hydroxymethyl)-
- 2-(dimethylamino)-2-(hydroxymethyl)-1,3-Propanediol
- 2-DiMethylaMino-2-hydroxyMethylpropane-1,3-diol
- NSC17711
- 2-dimethylamino-2-hydroxymethyl-1,3-propanediol
- 2-Dimethylamino-2-hydroxymethyl-propan-1,3-diol
- 2-dimethylamino-2-hydroxymethyl-propane-1,3-diol
- AC1L1SHQ
- CTK8A1728
- Dimethylamino-tris-hydroxymethyl-methan
- N,N-dimethyltris(hydroxymethyl)aminomethane
- STK448069
- tris-(hydroxymethyl)-dimethylaminomethane
- 2-(dimethylamino)-2-(hydroxymethyl)propane-1,3-diol
- 2-Dimethylamino-2-hydroxymethyl-propane-1,3-diol
- MFCD00632411
- NSC 17711
- 1112-24-9
- 1,3-Propanediol, 2-(dimethylamino)-2-(hydroxymethyl)-
- NS00006476
- NSC-17711
- J-509274
- AKOS003243396
- FGLZHYIVVZTBQJ-UHFFFAOYSA-N
- EC 810-179-4
- SCHEMBL159962
- DTXSID30275648
- 2-Dimethylamino-2-hydroxymethylpropane-1,3-diol
- 2-(Dimethylamino)-2-(hydroxymethyl)-1,3-propanediol
- FT-0685475
- CS-0119468
- 1,3-Propanediol, 2-(dimethylamino)-2-(hydroxymethyl)
- 2-(Dimethylamino)-2-(hydroxymethyl)-1,3-propanediol #
物化性质
实验特性
LogP |
-1.73630 |
PSA |
63.93 |
折射率 |
1.51 |
沸点 |
304.8°Cat760mmHg |
闪点 |
170.7°C |
密度 |
1.171 |
计算特性
精确分子量 |
149.10525 |
氢键供体数量 |
3 |
氢键受体数量 |
4 |
可旋转化学键数量 |
4 |
同位素质量 |
149.105 |
重原子数量 |
10 |
复杂度 |
82.7 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
不确定原子立构中心数量 |
0 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
-1.9 |
拓扑分子极性表面积 |
63.9A^2 |